1-cyclopropanecarbonyl-4-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl}piperidine

• ChemBase ID: 581358
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: n1c(noc1C)CC1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)Cc1noc(n1)C)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C19H28N4O3/c1-13-20-17(21-26-13)12-14-4-8-22(9-5-14)19(25)16-6-10-23(11-7-16)18(24)15-2-3-15/h14-16H,2-12H2,1H3
• InChIKey: JOYLSMRGOSTEEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-4-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl}piperidine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-4-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl}piperidine
• Synonyms: 1-(cyclopropylcarbonyl)-4-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperidinyl}carbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8948685
• LogD (pH = 7.4): 0.8948698
• Log P: 0.8948698
• Molar Refractivity: 97.7085 cm^3
• Polarizability: 36.881226 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.41
• LOG S: -2.18
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 4